SCHEMBL4523052

SCHEMBL4523052

Cc1ccccc1CC1CCN(C2CCc3ccccc32)C1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 2/20 0.47
CYP26A1 O43174 1/20 0.47
HSD11B1 P28845 4/20 0.42
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
XIAP P98170 1/20 0.37
CYP27A1 Q02318 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
HTR1A P08908 2/20 0.36
KMT2A Q03164 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4519858 0.93 CYP26A1 (0.43) CYP24A1CYP26A1HSD11B1KDM4EALDH1A1
SCHEMBL4515240 0.88 HSD11B1 (0.42) CYP24A1CYP26A1HSD11B1KDM4EALDH1A1
SCHEMBL4504470 0.88 HSD11B1 (0.42) CYP24A1CYP26A1HSD11B1KDM4EALDH1A1
SCHEMBL14365372 0.88 HSD11B1 (0.42) CYP24A1CYP26A1HSD11B1KDM4EALDH1A1
SCHEMBL4516530 0.87 KDM4E (0.44) CYP24A1CYP26A1HSD11B1KDM4EALDH1A1
SCHEMBL4511428 0.85 CYP2D6 (0.45) CYP24A1CYP26A1HSD11B1KDM4EALDH1A1
SCHEMBL4509855 0.81 HSD11B1 (0.39) CYP24A1CYP26A1HSD11B1KDM4EALDH1A1
SCHEMBL4510847 0.80 SMN1; SMN2 (0.52) HSD11B1KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL4518200 0.79 KMT2A (0.44) KDM4EALDH1A1POLBSMN1; SMN2CYP2D6
SCHEMBL14364999 0.79 KMT2A (0.44) KDM4EALDH1A1POLBSMN1; SMN2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 CYP24A1 54/4885CYP26A1 66/4885HSD11B1 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.